Quercetin 3-O-(6-acetylglucoside)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H22O13
Molecular Weight	506.413
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Quercetin 3-O-(6-acetylglucoside)

Structure Search

SMILES

CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=IGLUNMMNDNWZOA-LNNZMUSMSA-N

InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H22O13
Molecular Weight	506.413
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:47:45 GMT 2025` Edited by `admin` on `Wed Apr 02 05:47:45 GMT 2025`
Record UNII	37B9EV4QPM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Quercetin 3-O-(6-acetylglucoside)

Common Name

English

Quercetin 3-O-(6-O-acetyl-?-D-glucopyranoside)

Preferred Name

English

4H-1-Benzopyran-4-one, 3-[(6-O-acetyl-?-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-

Systematic Name

English

Quercetin-3-O-(6??-acetyl)-?-D-glucopyranoside

Common Name

English

((2R,3S,4S,5S,6S)-6-(2-(3,4-BIS(OXIDANYL)PHENYL)-5,7-BIS(OXIDANYL)-4-OXIDANYLIDENE-CHROMEN-3-YL)OXY-3,4,5-TRIS(OXIDANYL)OXAN-2-YL)METHYL ETHANOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

37B9EV4QPM

Created by admin on Wed Apr 02 05:47:45 GMT 2025 , Edited by admin on Wed Apr 02 05:47:45 GMT 2025

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CAS

54542-51-7

Created by admin on Wed Apr 02 05:47:45 GMT 2025 , Edited by admin on Wed Apr 02 05:47:45 GMT 2025

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PUBCHEM

10006384

Created by admin on Wed Apr 02 05:47:45 GMT 2025 , Edited by admin on Wed Apr 02 05:47:45 GMT 2025

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EPA CompTox

DTXSID201248342

Created by admin on Wed Apr 02 05:47:45 GMT 2025 , Edited by admin on Wed Apr 02 05:47:45 GMT 2025

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